![C39H37N5O7 Adenosine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′- O-methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 Adenosine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′- O-methyl- (9CI, ACI) chin an tap imaj](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenosine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′- O-methyl- (9CI, ACI)
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 687.74 | - |
| Dansite (prevwa) | 1.32 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 7.87 ± 0.43 | Pifò asid tanperati: 25 ° C |
Souri kanonyal O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OC) C = 7C = CC = CC7
Souri izomèr
C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6) C7=CC=CC=C7
Inchi
Inchi = 1S/C39H37N5O7/C1-47-29-18-14-27 (15-19-29) 39 (26-12-8-5-9-13-26,28-16-20-30 (48-2) 21-17-28) 50-22-31-3 (45) 34 (49-28) 31) 44-24-42-32-35 (40-23-41-36 (32) 44) 43-37 (46) 25-10-6-4-7-11-25/ H4-21,23-24,31,33-34,38,45H, 22H2,1-3H3, (H, 40,41,43,46)/T31-, 33-,
34-, 38-/m1/s1
Inchi kle
Sarhdaqoznkzccc-cjegosrcsa-n
1 lòt non pou sibstans sa a
N-Benzoyl-5′-O- [bis (4-methoxyphenyl) fenilmetil] -2′-O-methyladenosine (ACI)
Spèktr ki disponib
1H NMR
13c NMR
Mas
Pwopriyete ki disponib
Biolojik
Chimik
Densite
Lipinski
Estrikti ki gen rapò
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 47800 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.63 x 105 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2.16 x 105 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2.23 x 105 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2.23 x 105 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2.18 x 105 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.79 x 105 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 64900 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 10600 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 3110 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 50200 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 1.71 x 105 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 2.26 x 105 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 2.34 x 105 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 2.34 x 105 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 2.29 x 105 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 1.88 x 105 | pH 7; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 68000 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 11200 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 3260 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 6.67 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 7.21 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 7.33 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | 7.34 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 7.34 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 7.33 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 7.25 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 6.80 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 6.02 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 5.49 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 7.344 ± 0.723 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 2.7 x 10-6 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.2 x 10-5 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.7 x 10-6 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.8 x 10-6 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.8 x 10-6 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.8 x 10-6 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.8 x 10-6 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.4 x 10-6 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.6 x 10-6 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.7 x 10-5 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.9 x 10-4 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.4 x 10-6 g/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 3.9 x 10-9 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.8 x 10-8 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 5.4 x 10-9 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.1 x 10-9 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.0 x 10-9 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.0 x 10-9 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 4.0 x 10-9 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.9 x 10-9 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-8 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 8.3 x 10-8 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.8 x 10-7 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.9 x 10-9 mol/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 687.74 | ||
| pka | 7.87 ± 0.43 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 1.39 ± 0.10 | Pifò debaz tanperati: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.32 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 518.5 ± 7.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 12 | (1) ACD | |
| H akseptab | 12 | (1) ACD | |
| H donatè | 2 | (1) ACD | |
| H donatè/aksepte sòm | 14 | (1) ACD | |
| logp | 7.344 ± 0.723 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 687.74 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 139 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
Spèktr ki disponib
13c NMR
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